1-[(3,4-diethoxyphenyl)-pyridin-2-yl-methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3,4-diethoxyphenyl)-pyridin-2-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(2-pyridyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(2-pyridinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-pyridin-2-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(2-pyridyl)methyl]proline Formula: C21H26N2O4 MolecularWeight: 370.44214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC=CC=N2)N3CCCC3C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=CC=N2)N3CCCC3C(=O)O)OCC

InChI

InChI=1S/C21H26N2O4/c1-3-26-18-11-10-15(14-19(18)27-4-2)20(16-8-5-6-12-22-16)23-13-7-9-17(23)21(24)25/h5-6,8,10-12,14,17,20H,3-4,7,9,13H2,1-2H3,(H,24,25)